1-butylpiperidin-4-ol

• ChemBase ID: 92252
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: N1(CCCC)CCC(CC1)O
• Canonical SMILES: CCCCN1CCC(CC1)O
• InChI: InChI=1S/C9H19NO/c1-2-3-6-10-7-4-9(11)5-8-10/h9,11H,2-8H2,1H3
• InChIKey: RLKMOPWWGZKHOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-butylpiperidin-4-ol
• IUPAC Traditional name: 1-butylpiperidin-4-ol
• Synonyms: 1-Butyl-4-hydroxypiperidine

Database IDs

• MDL Number: MFCD03411607
• PubChem SID: 162078950
• PubChem CID: 13665270

CALCULATED PROPERTIES

• Acid pKa: 15.179292
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5772643
• LogD (pH = 7.4): -1.3762684
• Log P: 0.83212805
• Molar Refractivity: 47.586 cm^3
• Polarizability: 18.725828 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true